(2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide

C23H16ClF3N4O — CID 58765059

IUPAC(2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
SMILESN#Cc1ccc(CN(/N=C\C(=O)Nc2ccc(Cl)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H16ClF3N4O/c24-19-8-10-20(11-9-19)30-22(32)14-29-31(15-17-6-4-16(13-28)5-7-17)21-3-1-2-18(12-21)23(25,26)27/h1-12,14H,15H2,(H,30,32)/b29-14-
InChIKeySKVLKSVMLDMBRS-NUJZUDFISA-N
MW456.86 g/mol
LogP5.86
Rot. Bonds6

About (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide

(2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide (PubChem CID 58765059) has the molecular formula C23H16ClF3N4O and a molecular weight of 456.86 g/mol. Its IUPAC name is (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide.

Molecular Properties

Compound Name(2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
PubChem CID58765059
Molecular FormulaC23H16ClF3N4O
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC Name(2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
SMILESN#Cc1ccc(CN(/N=C\C(=O)Nc2ccc(Cl)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H16ClF3N4O/c24-19-8-10-20(11-9-19)30-22(32)14-29-31(15-17-6-4-16(13-28)5-7-17)21-3-1-2-18(12-21)23(25,26)27/h1-12,14H,15H2,(H,30,32)/b29-14-
InChIKeySKVLKSVMLDMBRS-NUJZUDFISA-N
XLogP5.86
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide
CID 71151908
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3903026
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109040794
N-(2-cyanoethyl)-2-[(E)-[2-(4-methylanilino)-2-oxoethylidene]amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 6904886
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(4-cyanophenyl)urea
CID 58920642
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
CID 4235291
4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 162534916
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide?
The IUPAC name of (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide (CID 58765059) is (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide.
What is the SMILES notation for (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide?
The canonical SMILES for (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide is N#Cc1ccc(CN(/N=C\C(=O)Nc2ccc(Cl)cc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide?
The InChIKey is SKVLKSVMLDMBRS-NUJZUDFISA-N. The full InChI is InChI=1S/C23H16ClF3N4O/c24-19-8-10-20(11-9-19)30-22(32)14-29-31(15-17-6-4-16(13-28)5-7-17)21-3-1-2-18(12-21)23(25,26)27/h1-12,14H,15H2,(H,30,32)/b29-14-.
What are the key properties of (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide?
(2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide has a molecular weight of 456.86 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-chlorophenyl)-2-[(4-cyanophenyl)methyl-[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide is sourced from PubChem (CID 58765059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).